mp-561491/KNaMg2Si4O10F2/harm

Harmonic properties

../../_images/fig_bandos_pr7406.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10438.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7406.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27170.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times13130.png

(a) Computation time